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Geometry for CCl2O (Phosgene) 1A1 C2V

1910171554
InChI=1S/CCl2O/c2-1(3)4 INChIKey=YGYAWVDWMABLBF-UHFFFAOYSA-N

B3LYP/CEP-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 1.4757   1.4757 0.0000 0.0000
C2 0.0000 0.0000 0.2808   0.2808 0.0000 0.0000
Cl3 0.0000 1.4760 -0.7127   -0.7127 0.0000 1.4760
Cl4 0.0000 -1.4760 -0.7127   -0.7127 0.0000 -1.4760
Atom - Atom Distances (Å)
  O1 C2 Cl3 Cl4
O1 1.1949 2.6396 2.6396
C2 1.1949 1.7792 1.7792
Cl3 2.6396 1.7792 2.9520
Cl4 2.6396 1.7792 2.9520
Maximum atom distance is 2.9520Å between atoms Cl3 and Cl4.
picture of Phosgene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 Cl3 123.944 O1 C2 Cl4 123.944
Cl3 C2 Cl4 112.112

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.